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2D Materials: Large Out‐of‐Plane Second Harmonic Generation Susceptibility in Penta‐ZnS 2 Sheet (Adv. Theory Simul. 6/2020)
Author(s) -
Shen Yiheng,
Guo Yaguang,
Wang Qian
Publication year - 2020
Publication title -
advanced theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.068
H-Index - 17
ISSN - 2513-0390
DOI - 10.1002/adts.202070014
Subject(s) - plane (geometry) , harmonic , janus , materials science , symmetry (geometry) , condensed matter physics , second harmonic generation , stoichiometry , geometry , physics , crystallography , optics , nanotechnology , chemistry , quantum mechanics , mathematics , laser , organic chemistry
In contrast to conventional stoichiometric zinc sulfide, the ground state geometry of 2D ZnS 2 is identified as a pentagonal sheet composed entirely of pentagons by Qian Wang in article number 2000027 through global structural search. Due to the lack of centrosymmetry and out‐of‐plane mirror symmetry in its geometry, this sheet exhibits giant out‐of‐plane second harmonic generation susceptibility, which is ≈2–3 orders of magnitude larger than that of Janus 2D materials, showing great promise for applications.